Information card for entry 2011753

Structure parameters

• Chemical name: 4,4'-Di(2-pyridyl)-3,3'-bi-1,2,5-thiadiazole
• Formula: C14 H8 N6 S2
• Calculated formula: C14 H8 N6 S2
• SMILES: s1nc(c(n1)c1ncccc1)c1nsnc1c1ncccc1
• Title of publication: 4,4'-Bis(2-pyridyl)-3,3'-bi-1,2,5-thiadiazole
• Authors of publication: Richardson, Chris; Steel, Peter J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 197 - 198
• a: 6.33 ± 0.005 Å
• b: 9.007 ± 0.007 Å
• c: 12.25 ± 0.01 Å
• α: 84.427 ± 0.009°
• β: 85.113 ± 0.009°
• γ: 79.425 ± 0.009°
• Cell volume: 681.7 ± 0.9 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0566
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No